N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H17F3N4O2 — CID 134793077

IUPACN-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)28-15-7-3-4-12(10-15)17-25-24-16-9-8-13(11-26(16)17)18(27)23-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,27)
InChIKeyMIRICDZBTYTNKS-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.97
Rot. Bonds4

About N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134793077) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134793077
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)28-15-7-3-4-12(10-15)17-25-24-16-9-8-13(11-26(16)17)18(27)23-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,27)
InChIKeyMIRICDZBTYTNKS-UHFFFAOYSA-N
XLogP3.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134793077) is N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NC1CCCC1)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1.
What is the InChIKey of N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is MIRICDZBTYTNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)28-15-7-3-4-12(10-15)17-25-24-16-9-8-13(11-26(16)17)18(27)23-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,27).
What are the key properties of N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134793077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).